REMARK Name = BDB032893 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.280 -0.974 1.028 0.00 0.00 +0.047 A ATOM 2 C LIG 1 0.109 -1.217 0.923 0.00 0.00 +0.058 A ATOM 3 C LIG 1 0.647 -2.444 1.354 0.00 0.00 +0.015 A ATOM 4 C LIG 1 -0.190 -3.443 1.849 0.00 0.00 +0.001 A ATOM 5 C LIG 1 -1.561 -3.220 1.922 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -2.102 -1.995 1.521 0.00 0.00 +0.024 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 -4.450 2.707 0.213 0.00 0.00 +0.129 C ATOM 8 N LIG 1 -3.169 2.048 0.270 0.00 0.00 -0.302 N ATOM 9 H LIG 1 -2.385 2.603 0.583 0.00 0.00 +0.150 HD ATOM 10 C LIG 1 -3.100 0.701 0.568 0.00 0.00 +0.304 C ATOM 11 N LIG 1 -1.792 0.291 0.655 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -1.092 0.984 0.396 0.00 0.00 +0.156 HD ATOM 13 O LIG 1 -4.097 0.004 0.704 0.00 0.00 -0.253 OA ENDBRANCH 1 11 BRANCH 2 14 ATOM 14 C LIG 1 1.019 -0.172 0.354 0.00 0.00 +0.251 C ATOM 15 N LIG 1 2.065 -0.658 -0.398 0.00 0.00 -0.261 N ATOM 16 H LIG 1 2.139 -1.640 -0.616 0.00 0.00 +0.157 HD ATOM 17 O LIG 1 0.743 1.008 0.546 0.00 0.00 -0.270 OA BRANCH 15 18 ATOM 18 C LIG 1 2.987 0.166 -0.985 0.00 0.00 +0.167 A ATOM 19 S LIG 1 4.137 -0.658 -1.945 0.00 0.00 -0.030 S ATOM 20 C LIG 1 4.868 0.839 -2.303 0.00 0.00 +0.166 A ATOM 21 C LIG 1 4.196 1.861 -1.670 0.00 0.00 +0.152 A ATOM 22 N LIG 1 3.110 1.466 -0.907 0.00 0.00 -0.231 NA BRANCH 20 23 ATOM 23 N LIG 1 6.049 0.964 -3.168 0.00 0.00 -0.022 NA ATOM 24 O LIG 1 6.460 2.119 -3.322 0.00 0.00 -0.143 OA ENDBRANCH 20 23 ENDBRANCH 15 18 ENDBRANCH 2 14 TORSDOF 4